Isobornanamine Methyl(2,3,3-trimethyltrinorbornan-2-yl)amine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:60-40-2

MDL number:None

EINECS number:200-476-1

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: crystalline.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 245.5~246.5℃ (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined Determined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17 . Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Solubility (g/ 100ml): 21.2 in water, 8.2 in ethanol, 10.4 in glycerol, and 2.1 in isopropyl alcohol. The pH of 1% aqueous solution is 6.0 to 7.5.

Toxicological data

1. Acute toxicity: Mouse oral LD50: 90mg/kg; Mouse intraperitoneal LD50: 40mg/kg; Mouse subcutaneous LD50: 37500ug/kg; Mouse intravenous LD50: 11900ug/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 105.23

2. Molar volume (cm³/mol): 300.9

3. Isotonic specific volume (90.2K ): 789.1

4. Surface tension (dyne/cm): 47.2

5. Polarizability (10-24cm3): 41.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 197

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 3

13. Determine the number of chemical bond stereocenters.��:0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

It is produced by reduction of camphene and sodium thiocyanate.

Purpose

For biochemical research. Antihypertensive drugs.

The hydrochloride is a white odorless or almost odorless crystalline powder, slightly bitter, soluble in water and ethanol, easily soluble in chloroform, and insoluble in ether. This product is a ganglion blocking drug. It is clinically used for hypertensive crisis, hypertensive encephalopathy or severe hypertension in which other antihypertensive drugs are ineffective, especially for those with acute heart failure and pulmonary heart swelling. It can also be used as a controlled blood pressure lowering during anesthesia. The preparation is a tablet.